{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9163946 0.5446671 1.49786 ] [ 0.0084298 2.294234 2.779305 ] [ 1.912564 0.4098673 0.1717336 ] [ 2.851379 0.2549877 2.412214 ] [ 1.718971 2.318251 1.204915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.163945999999999e-11 5.446671e-11 1.49786e-10 ] [ 8.4298e-13 2.294234e-10 2.779305e-10 ] [ 1.912564e-10 4.098673e-11 1.717336e-11 ] [ 2.851379e-10 2.549877e-11 2.412214e-10 ] [ 1.718971e-10 2.318251e-10 1.204915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.2631435 -11.81407 17.1629878 ] [ -3.8797567 3.1593355 3.7642794 ] [ 13.1737873 -7.758964 -28.5662851 ] [ 10.6551157 -5.8057596 10.4032986 ] [ 4.3139972 22.2194581 -2.7642808 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.887384126281549e-08 -1.892822675049465e-08 2.749813779623563e-08 ] [ -6.216055479132159e-09 5.061813475363479e-09 6.031040448839051e-09 ] [ 2.110673401945196e-08 -1.243123072242885e-08 -4.576823413032739e-08 ] [ 1.707137726645903e-08 -9.30185229710516e-09 1.666792179612137e-08 ] [ 6.911785456036663e-09 3.559949629466519e-08 -4.428866071086321e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.1278889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.302231357203983e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6138529 -0.1986986 1.920827 ] [ 0.0926922 2.2093608 2.3261079 ] [ 1.4951308 0.7426248 -0.2173671 ] [ 2.8568482 0.5412024 2.730894 ] [ 2.3492143 2.5275178 1.3055658 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.138529e-11 -1.986986e-11 1.920827e-10 ] [ 9.269220000000001e-12 2.2093608e-10 2.3261079e-10 ] [ 1.4951308e-10 7.426248e-11 -2.173671e-11 ] [ 2.8568482e-10 5.412024e-11 2.730894e-10 ] [ 2.3492143e-10 2.5275178e-10 1.3055658e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.14e-05 -6.94e-05 3.83e-05 ] [ -3.34e-05 2.27e-05 -3.33e-05 ] [ -4.83e-05 2.42e-05 -6.9e-05 ] [ 4.17e-05 -6.4e-06 4.78e-05 ] [ 5.15e-05 2.89e-05 1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.826481347712e-14 -1.1119105748352e-13 6.136336457664001e-14 ] [ -5.351269913472e-14 3.636940929216e-14 -5.335248147264001e-14 ] [ -7.738513078464e-14 3.877267422336e-14 -1.105501868352e-13 ] [ 6.681076508736e-14 -1.025393037312e-14 7.658404247424001e-14 ] [ 8.25120959712e-14 4.630290434112001e-14 2.595526125696e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }